Adomet

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Adomet Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C[S+](CCC(N)C(=O)O)CC1OC(N2c3ncnc(N)c3N3OC32)C(O)C1O stable oxygenation prediction

C[S+](CCC(N)C(=O)O)CC1OC(N2c3ncnc(N)c3N3OC32)C(O)C1O unstable oxygenation prediction

C[S+](CCC(N)C(=O)O)CC1OC(N2c3ncnc(N)c3N3OC32)C(O)C1O dehydrogenation prediction

C[S+](CCC(N)C(=O)O)CC1OC(N2c3ncnc(N)c3N3OC32)C(O)C1O reduction prediction

C[S+](CCC(N)C(=O)O)CC1OC(N2c3ncnc(N)c3N3OC32)C(O)C1O hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

Showing 5 of 126 metabolites